aluminum (E)-2-ethyl-3-phenyl-pent-2-enoate

Systemtic Name: aluminum (E)-2-ethyl-3-phenyl-pent-2-enoate Openeye Name: aluminum (E)-2-ethyl-3-phenyl-pent-2-enoate CAS Name: aluminum (E)-2-ethyl-3-phenyl-2-pentenoate IUPAC Name: aluminum (E)-2-ethyl-3-phenylpent-2-enoate Traditional Name: aluminum (E)-2-ethyl-3-phenyl-pent-2-enoate Formula: C39H45AlO6 MolecularWeight: 636.752538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(CC)C(=O)[O-])C1=CC=CC=C1.CCC(=C(CC)C(=O)[O-])C1=CC=CC=C1.CCC(=C(CC)C(=O)[O-])C1=CC=CC=C1.[Al+3]

Isomeric SMILES

CC/C(=C(\C(=O)[O-])/CC)/C1=CC=CC=C1.CC/C(=C(\C(=O)[O-])/CC)/C1=CC=CC=C1.CC/C(=C(\C(=O)[O-])/CC)/C1=CC=CC=C1.[Al+3]

InChI

InChI=1S/3C13H16O2.Al/c3*1-3-11(12(4-2)13(14)15)10-8-6-5-7-9-10;/h3*5-9H,3-4H2,1-2H3,(H,14,15);/q;;;+3/p-3/b3*12-11+;